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142523-67-9

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Basic Information
CAS No.: 142523-67-9
Name: 3,4-DICHLOROBENZYL IODIDE
Article Data: 3
Molecular Structure:
Molecular Structure of 142523-67-9 (3,4-DICHLOROBENZYL IODIDE)
Formula: C7H5Cl2I
Molecular Weight: 286.927
Synonyms: 3,4-Dichlorobenzyl iodide;
Density: 1.932 g/cm3
Boiling Point: 287.1 °C at 760 mmHg
Flash Point: 127.4 °C
PSA: 0.00000
LogP: 3.92840
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Specification

The Benzene,1,2-dichloro-4-(iodomethyl)-, with the CAS registry number 142523-67-9, is also known as 3,4-Dichlorobenzyl iodide. This chemical's molecular formula is C7H5Cl2I and molecular weight is 286.93. What's more, its systematic name is 1,2-dichloro-4-(iodomethyl)benzene.

Physical properties of Benzene,1,2-dichloro-4-(iodomethyl)- are: (1)ACD/LogP: 4.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.22; (4)ACD/LogD (pH 7.4): 4.22; (5)ACD/BCF (pH 5.5): 947.8; (6)ACD/BCF (pH 7.4): 947.8; (7)ACD/KOC (pH 5.5): 4702.55; (8)ACD/KOC (pH 7.4): 4702.55; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.646; (14)Molar Refractivity: 53.92 cm3; (15)Molar Volume: 148.4 cm3; (16)Polarizability: 21.37×10-24cm3; (17)Surface Tension: 47.5 dyne/cm; (18)Density: 1.932 g/cm3; (19)Flash Point: 127.4 °C; (20)Enthalpy of Vaporization: 50.51 kJ/mol; (21)Boiling Point: 287.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00438 mmHg at 25°C.

Uses of Benzene,1,2-dichloro-4-(iodomethyl)-: it can be used to produce 1,5-bis-(4-chloro-phenyl)-3-(3,4-dichloro-benzylsulfanyl)-1H-[1,2,4]triazole by heating. It will need reagent aq. NaOH and solvent ethanol with the reaction time of 1 hour. The yield is about 64%.

Benzene,1,2-dichloro-4-(iodomethyl)- can be used to produce 1,5-bis-(4-chloro-phenyl)-3-(3,4-dichloro-benzylsulfanyl)-1H-[1,2,4]triazole by heating

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(cc1Cl)CI
(2)Std. InChI: InChI=1S/C7H5Cl2I/c8-6-2-1-5(4-10)3-7(6)9/h1-3H,4H2
(3)Std. InChIKey: ADWOWXDEIUANIT-UHFFFAOYSA-N